SCHEMBL230512

SCHEMBL230512

CC1=C(C(=O)O)C(c2ccc(C#N)cc2)n2ncnc2N1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
USP2 O75604 1/20 0.54
GLA P06280 1/20 0.54
HTT P42858 1/20 0.54
POLB P06746 2/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.49
CYP3A4 P08684 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2742302 0.86 ALDH1A1 (0.73) LMNAUSP2GLAHTTPOLB
SCHEMBL15006921 0.82 KDM4E (0.60) LMNAUSP2GLAHTTALDH1A1
SCHEMBL231970 0.81 CYP1A2 (0.43) LMNAHTTPOLBALDH1A1MEN1
SCHEMBL15455520 0.81 ALDH1A1 (0.53) LMNAGLAHTTPOLBALDH1A1
SCHEMBL230540 0.81 KDM4E (0.51) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL229821 0.80 CYP1A2 (0.44) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL230999 0.79 ADORA2B (0.47) LMNAUSP2GLAHTTALDH1A1
SCHEMBL232448 0.78 TP53 (0.45) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL17179720 0.77 POLB (0.69) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL230889 0.75 HPGD (0.41) LMNAPOLBALDH1A1KDM4ETP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545056-B1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD CHIESI FARM SPA (IT) 2017-09-06 EP disclosed
US-9359362-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-8569314-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-29 US disclosed
EP-2385945-B1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER IP GMBH (DE) 2013-01-23 EP disclosed
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 US disclosed
EP-2385945-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD Bayer Pharma Aktiengesellschaft (DE) 2011-11-16 EP disclosed
US-8041896-B2 Virtualization platform with dedicated cache access HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2011-10-18 US disclosed
WO-2010078953-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 LMNA 2053/4885USP2 1342/4885GLA 2427/4885
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 LMNA 2053/4885USP2 1342/4885GLA 2427/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.